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885280-79-5 molecular structure
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6-bromo-2,3-dihydro-1-benzofuran-3-amine

ChemBase ID: 804929
Molecular Formular: C8H8BrNO
Molecular Mass: 214.05922
Monoisotopic Mass: 212.97892588
SMILES and InChIs

SMILES:
O1CC(c2ccc(cc12)Br)N
Canonical SMILES:
Brc1ccc2c(c1)OCC2N
InChI:
InChI=1S/C8H8BrNO/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7H,4,10H2
InChIKey:
VXHJNJHULJJTSD-UHFFFAOYSA-N

Cite this record

CBID:804929 http://www.chembase.cn/molecule-804929.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2,3-dihydro-1-benzofuran-3-amine
IUPAC Traditional name
6-bromo-2,3-dihydro-1-benzofuran-3-amine
Synonyms
6-BROMO-2,3-DIHYDROBENZOFURAN-3-AMINE
CAS Number
885280-79-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22141 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22141 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.192839  LogD (pH = 7.4) 0.32244176 
Log P 1.5983378  Molar Refractivity 46.3186 cm3
Polarizability 18.286465 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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